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Re^2: Problems with running Linux/MPICH2 version of Firefly 8.0.1 (FIXED)

Mikhail Pozharov
pozharovmv@info.sgu.ru


Dear Dr. Granovsky,
Thank you for your solution. Everything works now as it did before.
Best wishes,
Mikhail Pozharov

On Thu Jan 30 '14 7:18am, Alex Granovsky wrote
----------------------------------------------
>Hello,

>Note, there are two different mpich2-linked distribution on our server,
>the one for older mpich2 installations and the second which is
>compatible with the newer ones.

>The binary in the RC distributions was compiled to work on the old
>installations.

>To run Firefly, you should have execute and read permissions
>set on the firefly binary. That is: chmod a+rx ./firefly801

>Next, check that all references to shared libraries are properly resolved:

>

 ldd ./firefly801

>Hope this helps.

>Kind regards,
>Alex Granovsky
>
>
>
>
>On Tue Jan 28 '14 9:36pm, Mikhail Pozharov wrote
>------------------------------------------------
>>Dear colleagues,
>>I was using Linux/MPICH2 version of Firefly 8.0.0 on our university cluster (OS for our cluster is Fedora Core Linux 13) before recent update, however, after version 8.0.1 came out, I can't use it anymore.
>>The previous version had a file called "firefly8.mpich2.ex" and I used a following script to run it:

>>/bin/bash
>>#PBS -N gamess
>>#PBS -o /home/pozharovmv/out
>>#PBS -e /home/pozharovmv/err
>>#PBS -l walltime=72:00:00
>>#PBS -q workq
>>#PBS -l nodes=1:ppn=8
>># chmod +x /home/pozharovmv/firefly8/firefly8.mpich2.ex

>>PROCS=`wc -l < $PBS_NODEFILE`

>>cat $PBS_NODEFILE > cores.txt

>>mpiexec -machinefile $PBS_NODEFILE -np $PROCS /home/pozharovmv/firefly8_linux/firefly8.mpich2.ex -f -r -i /home/pozharovmv/5ClSal-6-311G.inp -o /home/pozharovmv/5ClSal-6-311G.out -ex /home/pozharovmv/firefly8_linux/

>>However, version 8.0.1 does not have firefly8.mpich2.ex, and the method provided at the site (using chmod a+x ./firefly801) did not help.
>>I am not very accustomed with Linux, so I'm afraid I'm making some obvious mistake.
>>Can you, please, tell me how should I modify the script properly?

>>Yours sincerely,
>>Mikhail Pozharov

>>P.S. I am sorry for putting script within the message, but I didn't find a way to attach a file.
>>


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